Information card for entry 7062391

Structure parameters

• Chemical name: tris(N,N'-Diphenylquanidinum) hexabromoindium(iii)
• Formula: C39 H42 Br6 In N9
• Calculated formula: C39 H42 Br6 In N9
• Title of publication: Boosting the broadband orange emission in organic–inorganic hybrid (DPG)3InBr6via antimony doping
• Authors of publication: Jin, Shuya; Wei, Qilin; Peng, Hui; Ke, Bao; Lin, Wenchao; He, Bin; Zhong, Xianci; Zou, Bingsuo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 8249 - 8257
• a: 16.613 ± 0.003 Å
• b: 16.613 Å
• c: 14.28 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3413.1 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No